Self consistent field theory of solvent effects representation by continuum models: Introduction of desolvation contribution Raymond ConstancielRenato Contreras Original Investigations Pages: 1 - 11
Self consistent field theory of solvent effects representation by continuum models: Introduction of desolvation contribution Raymond ConstancielRenato Contreras Original Investigations Pages: 1 - 11
A calculation of the relative protonation energies of amines in solution Dónall A. Mac DónaillD. A. Morton-Blake Original Investigations Pages: 13 - 22
A calculation of the relative protonation energies of amines in solution Dónall A. Mac DónaillD. A. Morton-Blake Original Investigations Pages: 13 - 22
Topological properties of benzenoid systems. Bounds and approximate formulae for total π-electron energy I. GutmanA. V. TeodorovićLj. Nedeljković Original Investigations Pages: 23 - 31
Topological properties of benzenoid systems. Bounds and approximate formulae for total π-electron energy I. GutmanA. V. TeodorovićLj. Nedeljković Original Investigations Pages: 23 - 31
The electronic substituent influence on the thermally allowed electrocyclic interconversion cyclobutene/butadiene. A MNDO study Axel JensenHorst Kunz Original Investigations Pages: 33 - 47
The electronic substituent influence on the thermally allowed electrocyclic interconversion cyclobutene/butadiene. A MNDO study Axel JensenHorst Kunz Original Investigations Pages: 33 - 47
The use of Frame’s method for the characteristic polynomials of chemical graphs K. Balasubramanian Original Investigations Pages: 49 - 58
The use of Frame's method for the characteristic polynomials of chemical graphs K. Balasubramanian Original Investigations Pages: 49 - 58
Energy continuity in multi-reference CI calculations James S. WrightRichard J. Williams Original Investigations Pages: 59 - 64
Energy continuity in multi-reference CI calculations James S. WrightRichard J. Williams Original Investigations Pages: 59 - 64
Transformation matrices as tool to investigate the changes in the electronic structure of reacting molecules along the reaction coordinate Gernot FrenkingNikolaus Heinrich Original Investigations Pages: 65 - 76
Transformation matrices as tool to investigate the changes in the electronic structure of reacting molecules along the reaction coordinate Gernot FrenkingNikolaus Heinrich Original Investigations Pages: 65 - 76
Comments on a MORT treatment of bond length alternations in conjugated hydrocarbons T. NakajimaA. Toyota Short Communications Pages: 77 - 80
Comments on a MORT treatment of bond length alternations in conjugated hydrocarbons T. NakajimaA. Toyota Short Communications Pages: 77 - 80